N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine

C14H28N4 — CID 123834501

IUPACN-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine
SMILES[H]/N=C(C)/C(=C\C)NCC(C)(C)CNC(C)/C(C)=N/[H]
InChIInChI=1S/C14H28N4/c1-7-13(11(3)16)18-9-14(5,6)8-17-12(4)10(2)15/h7,12,15-18H,8-9H2,1-6H3/b13-7+,15-10+,16-11+
InChIKeyYKSOZMIDVWYYFN-BUNINIKHSA-N
MW252.41 g/mol
LogP2.56
Rot. Bonds8

About N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine

N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine (PubChem CID 123834501) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine
PubChem CID123834501
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine
SMILES[H]/N=C(C)/C(=C\C)NCC(C)(C)CNC(C)/C(C)=N/[H]
InChIInChI=1S/C14H28N4/c1-7-13(11(3)16)18-9-14(5,6)8-17-12(4)10(2)15/h7,12,15-18H,8-9H2,1-6H3/b13-7+,15-10+,16-11+
InChIKeyYKSOZMIDVWYYFN-BUNINIKHSA-N
XLogP2.56
TPSA71.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine (CID 123834501) is N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine is [H]/N=C(C)/C(=C\C)NCC(C)(C)CNC(C)/C(C)=N/[H].
What is the InChIKey of N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine?
The InChIKey is YKSOZMIDVWYYFN-BUNINIKHSA-N. The full InChI is InChI=1S/C14H28N4/c1-7-13(11(3)16)18-9-14(5,6)8-17-12(4)10(2)15/h7,12,15-18H,8-9H2,1-6H3/b13-7+,15-10+,16-11+.
What are the key properties of N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine?
N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminobutan-2-yl)-N'-[(E)-4-iminopent-2-en-3-yl]-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 123834501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).